5,7-dimethyl-N-(oxan-3-yl)pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 571151
• Molecular Formular: C14H18N4O
• Molecular Mass: 258.31892
• Monoisotopic Mass: 258.14806122
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1COCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC1CCCOC1
• InChI: InChI=1S/C14H18N4O/c1-9-6-10(2)17-13-12(9)14(16-8-15-13)18-11-4-3-5-19-7-11/h6,8,11H,3-5,7H2,1-2H3,(H,15,16,17,18)
• InChIKey: ILCXFCDUHWEODQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-(oxan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-(oxan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-(tetrahydro-2H-pyran-3-yl)pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.813782
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6527947
• LogD (pH = 7.4): 1.6628808
• Log P: 1.663011
• Molar Refractivity: 76.6111 cm^3
• Polarizability: 28.31873 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.05
• LOG S: -1.98
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 2